SCHEMBL4093461

SCHEMBL4093461

CC1CN(C(=O)OCCN2CCNCC2)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
PDK1 Q15118 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC18A2 Q05940 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4093465 1.00 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL13723257 0.86 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13724256 0.80 HRH1 (0.34) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL4089937 0.79 USP2 (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL6403134 0.78 TPSAB1 (0.36) ALDH1A1HPGDCYP2C19HTTPDK1
SCHEMBL6403138 0.78 TPSAB1 (0.36) ALDH1A1HPGDCYP2C19HTTPDK1
SCHEMBL27839598 0.75 PHGDH (0.44) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL13812217 0.75 BIRC2 (0.49) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL6971664 0.72 SLC18A3 (0.49) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL5953471 0.72 SLC18A3 (0.49) MEN1KMT2AALDH1A1KDM4EPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203695-A1 Compounds IV BIOVITRUM AB (SE) 2009-08-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090203695-A1 Compounds IV GPR119, FABP4, LIPC MEN1 2245/4885KMT2A 4312/4885ALDH1A1 2629/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.